# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'MnF2'
_chemical_formula_sum 'F2 Mn'

loop_
_publ_author_name
 'T. Yagi'
 'J. C. Jamieson'
 'P. B. Moore'
_journal_name_full_name
;
 Journal of Geophysical Research: Solid Earth
;
_journal_volume 84
_journal_year 1979
_journal_page_first 1113
_journal_page_last 1115
_publ_Section_title
;
 Polymorphism in MnF$_{2}$ (rutile type) at high pressures
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'MnF$_{2}$ Structure'
_aflow_proto 'A2B_tP12_111_2n_adf'
_aflow_params 'a,c/a,x_{4},z_{4},x_{5},z_{5}'
_aflow_params_values '5.1219931862,1.02616165562,0.205,0.28,0.301,0.622'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP12'

_cell_length_a    5.1219931862
_cell_length_b    5.1219931862
_cell_length_c    5.2559930080
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P -4 2 m"
_symmetry_Int_Tables_number 111
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,x,z
6 y,-x,-z
7 -y,x,-z
8 -y,-x,z
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1 Mn   1 a 0.00000 0.00000 0.00000 1.00000
Mn2 Mn   1 d 0.50000 0.50000 0.00000 1.00000
Mn3 Mn   2 f 0.50000 0.00000 0.50000 1.00000
F1  F    4 n 0.20500 0.20500 0.28000 1.00000
F2  F    4 n 0.30100 0.30100 0.62200 1.00000
